AMBER Archive (2005)

Subject: Re: AMBER: value of SALTCON

From: David A. Case (case_at_scripps.edu)
Date: Thu Apr 07 2005 - 13:25:50 CDT

On Thu, Apr 07, 2005, mathew k varghese wrote:
>
> I want to perform GB calculations of bulged RNA.The
> charge of the molecule is -13.What should be the value
> of SALTCON to be set.Is there any relation to find out
> the value of saltcon?

The value of saltcon is generally set to agree with the experimental data you
are interested in comparing to. "Physiological" salt concentrations are in
the range of 0.1 to 0.2 M; in vitro experiments might have a larger range of
values.

The added salt concentration has nothing per se to do with the charge on your
molecule.

...dac

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